1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene

C42H24F18Te — CID 15843274

IUPAC1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C42H24F18Te/c43-37(44,45)25-1-13-31(14-2-25)61(32-15-3-26(4-16-32)38(46,47)48,33-17-5-27(6-18-33)39(49,50)51,34-19-7-28(8-20-34)40(52,53)54,35-21-9-29(10-22-35)41(55,56)57)36-23-11-30(12-24-36)42(58,59)60/h1-24H
InChIKeyJRAIFEORLKDSBF-UHFFFAOYSA-N
MW998.22 g/mol
LogP10.90
Rot. Bonds6

About 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene

1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene (PubChem CID 15843274) has the molecular formula C42H24F18Te and a molecular weight of 998.22 g/mol. Its IUPAC name is 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene
PubChem CID15843274
Molecular FormulaC42H24F18Te
Molecular Weight998.22 g/mol
Exact Mass1000.07
IUPAC Name1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C42H24F18Te/c43-37(44,45)25-1-13-31(14-2-25)61(32-15-3-26(4-16-32)38(46,47)48,33-17-5-27(6-18-33)39(49,50)51,34-19-7-28(8-20-34)40(52,53)54,35-21-9-29(10-22-35)41(55,56)57)36-23-11-30(12-24-36)42(58,59)60/h1-24H
InChIKeyJRAIFEORLKDSBF-UHFFFAOYSA-N
XLogP10.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.22
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene (CID 15843274) is 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc([Te](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene?
The InChIKey is JRAIFEORLKDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F18Te/c43-37(44,45)25-1-13-31(14-2-25)61(32-15-3-26(4-16-32)38(46,47)48,33-17-5-27(6-18-33)39(49,50)51,34-19-7-28(8-20-34)40(52,53)54,35-21-9-29(10-22-35)41(55,56)57)36-23-11-30(12-24-36)42(58,59)60/h1-24H.
What are the key properties of 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene?
1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene has a molecular weight of 998.22 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pentakis[4-(trifluoromethyl)phenyl]-lambda6-tellanyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15843274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).